Synthesis, Antifungal Activity and QSAR of Some Novel Carboxylic Acid Amides
Du, Shijie 1Lu, Huizhe 1Yang, Dongyan 1Li, Hong 1Gu, Xilin 1Wan, Chuan 1Jia, Changqing 1Wang, Mian 1Li, Xiuyun 1Qin, Zhaohai1
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作者信息
1. China Agr Univ, Coll Sci, Dept Appl Chem, Beijing 100193, Peoples R China
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Abstract
A series of novel aromatic carboxylic acid amides were synthesized and tested for their activities against six phytopathogenic fungi by an in vitro mycelia growth inhibition assay. Most of them displayed moderate to good activity. Among them N-(2-(1H-indazol-1-yl)phenyl)-2-(trifluoromethyl)benzamide (3c) exhibited the highest antifungal activity against Pythium aphanidermatum (EC50 = 16.75 mu g/mL) and Rhizoctonia solani (EC50 = 19.19 mu g/mL), compared to the reference compound boscalid with EC50 values of 10.68 and 14.47 mu g/mL, respectively. Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were employed to develop a three-dimensional quantitative structure-activity relationship model for the activity of the compounds. In the molecular docking, a fluorine atom and the carbonyl oxygen atom of 3c formed hydrogen bonds toward the hydroxyl hydrogens of TYR58 and TRP173.
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